2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate

C19H32O8 — CID 4524556

IUPAC2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(CC)(COCCOC)COCCOC(=O)C=C
InChIInChI=1S/C19H32O8/c1-5-17(20)26-12-10-24-15-19(7-3,14-23-9-8-22-4)16-25-11-13-27-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3
InChIKeySBOXDRICSJHEBA-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.54
Rot. Bonds18

About 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate

2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate (PubChem CID 4524556) has the molecular formula C19H32O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
PubChem CID4524556
Molecular FormulaC19H32O8
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Name2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(CC)(COCCOC)COCCOC(=O)C=C
InChIInChI=1S/C19H32O8/c1-5-17(20)26-12-10-24-15-19(7-3,14-23-9-8-22-4)16-25-11-13-27-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3
InChIKeySBOXDRICSJHEBA-UHFFFAOYSA-N
XLogP1.54
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate (CID 4524556) is 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCC(CC)(COCCOC)COCCOC(=O)C=C.
What is the InChIKey of 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate?
The InChIKey is SBOXDRICSJHEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O8/c1-5-17(20)26-12-10-24-15-19(7-3,14-23-9-8-22-4)16-25-11-13-27-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3.
What are the key properties of 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate?
2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 1.54, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate is sourced from PubChem (CID 4524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).